1-[(2S)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea

C16H26N4O4 — CID 95134145

IUPAC1-[(2S)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
SMILESCOC[C@@H](O)CN(C)C(=O)NCc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C16H26N4O4/c1-19(11-14(21)12-23-2)16(22)18-10-13-3-4-17-15(9-13)20-5-7-24-8-6-20/h3-4,9,14,21H,5-8,10-12H2,1-2H3,(H,18,22)/t14-/m0/s1
InChIKeyLCQHCQMCTOUCIX-AWEZNQCLSA-N
MW338.41 g/mol
LogP0.07
Rot. Bonds7

About 1-[(2S)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea

1-[(2S)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea (PubChem CID 95134145) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[(2S)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
PubChem CID95134145
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC Name1-[(2S)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
SMILESCOC[C@@H](O)CN(C)C(=O)NCc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C16H26N4O4/c1-19(11-14(21)12-23-2)16(22)18-10-13-3-4-17-15(9-13)20-5-7-24-8-6-20/h3-4,9,14,21H,5-8,10-12H2,1-2H3,(H,18,22)/t14-/m0/s1
InChIKeyLCQHCQMCTOUCIX-AWEZNQCLSA-N
XLogP0.07
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(2S)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea with MolForge

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
CID 55589673
2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methylurea
CID 95133675
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
1-[(2R)-1-methoxypropan-2-yl]-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea
CID 94178037
1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea
CID 36506612
(2S)-2-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 94068233
(2S)-2-acetamido-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32584933
2-(2-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]acetamide
CID 32586117
N-[(3,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-4-pyridinyl)methanamine
CID 38048783
(2R)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 37350981
1-(2-ethylhexyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
CID 47025498

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea?
The IUPAC name of 1-[(2S)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea (CID 95134145) is 1-[(2S)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[(2S)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-[(2S)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea is COC[C@@H](O)CN(C)C(=O)NCc1ccnc(N2CCOCC2)c1.
What is the InChIKey of 1-[(2S)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea?
The InChIKey is LCQHCQMCTOUCIX-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-19(11-14(21)12-23-2)16(22)18-10-13-3-4-17-15(9-13)20-5-7-24-8-6-20/h3-4,9,14,21H,5-8,10-12H2,1-2H3,(H,18,22)/t14-/m0/s1.
What are the key properties of 1-[(2S)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea?
1-[(2S)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea has a molecular weight of 338.41 g/mol, XLogP of 0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea is sourced from PubChem (CID 95134145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).